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SCHEMBL2281920

SCHEMBL2281920

COC(=O)N(C)C1CCC(n2c(CO)nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.40
▸ JAK2 O60674 13/20 0.39
▸ JAK3 P52333 13/20 0.39
▸ TYK2 P29597 12/20 0.39
▸ CCR5 P51681 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2276856 0.87 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL2281847 0.86 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL2269216 0.86 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2276178 0.85 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2279223 0.85 JAK1 (0.42) JAK1JAK2JAK3TYK2
SCHEMBL2275269 0.84 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL2228322 0.83 JAK1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL2274681 0.83 JAK1 (0.59) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2285037 0.80 JAK1 (0.39) JAK1JAK2JAK3TYK2
SCHEMBL29602542 0.80 JAK3 (0.58) JAK1JAK2JAK3TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 — — EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed